⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9165459 | 0.77 | — | — | |
| SCHEMBL6961766 | 0.71 | — | — | |
| SCHEMBL5801975 | 0.63 | — | — | |
| SCHEMBL9169209 | 0.62 | — | — | |
| SCHEMBL9167912 | 0.58 | — | — | |
| SCHEMBL4449428 | 0.57 | — | — | |
| SCHEMBL5804649 | 0.56 | NFKB1 (0.36) | — | |
| SCHEMBL11125136 | 0.56 | NPC1 (0.35) | — | |
| SCHEMBL11247855 | 0.55 | — | — | |
| SCHEMBL2142076 | 0.55 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5420320-A | Method for preparing cyclopentadienyl-type ligands and metallocene compounds | PHILLIPS PETROLEUM COMPANY (US) | 1995-05-30 | — | — | US | disclosed |